1-(3-aminophenyl)pyridin-2-one

C11H10N2O — CID 8641

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IUPAC1-(3-aminophenyl)pyridin-2-one
SMILESNc1cccc(-n2ccccc2=O)c1
InChIInChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)13-7-2-1-6-11(13)14/h1-8H,12H2
InChIKeyZVSGUZQJNXHNIL-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.42
Rot. Bonds1

About 1-(3-aminophenyl)pyridin-2-one

1-(3-aminophenyl)pyridin-2-one (PubChem CID 8641) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(3-aminophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)pyridin-2-one
PubChem CID8641
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-(3-aminophenyl)pyridin-2-one
SMILESNc1cccc(-n2ccccc2=O)c1
InChIInChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)13-7-2-1-6-11(13)14/h1-8H,12H2
InChIKeyZVSGUZQJNXHNIL-UHFFFAOYSA-N
XLogP1.42
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-Ethyl-N-phenylacetamide
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Acetamide, N-[3-(diethylamino)phenyl]-
CID 80778
N-(3-Aminophenyl)propanamide
CID 89953
Acetamide, N-(3-aminophenyl)-, hydrochloride (1:1)
CID 458805
N-(4-Piperidinyl)phenylacetamide
CID 74156
N-Propylacetanilide
CID 17098
N-Phenylacrylamide
CID 221792
N-Methyl-N-phenylprop-2-enamide
CID 234887

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)pyridin-2-one?
The IUPAC name of 1-(3-aminophenyl)pyridin-2-one (CID 8641) is 1-(3-aminophenyl)pyridin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)pyridin-2-one?
The canonical SMILES for 1-(3-aminophenyl)pyridin-2-one is Nc1cccc(-n2ccccc2=O)c1.
What is the InChIKey of 1-(3-aminophenyl)pyridin-2-one?
The InChIKey is ZVSGUZQJNXHNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)13-7-2-1-6-11(13)14/h1-8H,12H2.
What are the key properties of 1-(3-aminophenyl)pyridin-2-one?
1-(3-aminophenyl)pyridin-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)pyridin-2-one is sourced from PubChem (CID 8641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).